USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.664 K(o=1.4,f=-1.1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.779 K(o=1.4,f=-0.44) USER MOD Set 2.1: A 55 THR OG1 : rot -40:sc= 1.2 USER MOD Set 2.2: A 57 SER OG : rot -81:sc= 0.68 USER MOD Set 3.1: A 25 ASN : amide:sc= -0.027 K(o=2.4,f=1.4) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 177:sc= 2.43 (180deg=2.35) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.37 (180deg=2.11) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.09 (180deg=0.904) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 34:sc= 0.0122 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.89 (180deg=1.24) USER MOD Single : A 31 GLN : amide:sc= -0.601 K(o=-0.6,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.555 K(o=0.55,f=-3!) USER MOD Single : A 41 GLN : amide:sc= 1.39 K(o=1.4,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.263 K(o=0.26,f=-2.8!) USER MOD Single : A 59 TYR OH : rot -158:sc= 1.17 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.052) USER MOD Single : A 65 SER OG : rot 70:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.694 51.811 19.632 1.00 0.00 N ATOM 2 CA MET A 1 32.941 52.125 21.048 1.00 0.00 C ATOM 3 C MET A 1 34.408 52.482 21.296 1.00 0.00 C ATOM 4 O MET A 1 35.290 52.034 20.566 1.00 0.00 O ATOM 5 CB MET A 1 32.465 51.036 22.005 1.00 0.00 C ATOM 6 CG MET A 1 33.222 49.713 21.929 1.00 0.00 C ATOM 7 SD MET A 1 32.631 48.468 23.102 1.00 0.00 S ATOM 8 CE MET A 1 33.954 47.237 22.985 1.00 0.00 C ATOM 0 H1 MET A 1 31.670 51.740 19.466 1.00 0.00 H new ATOM 0 H2 MET A 1 33.090 52.565 19.035 1.00 0.00 H new ATOM 0 H3 MET A 1 33.147 50.906 19.393 1.00 0.00 H new ATOM 0 HA MET A 1 32.334 53.004 21.267 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.536 51.417 23.024 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.410 50.842 21.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.139 49.315 20.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.280 49.899 22.113 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.735 46.403 23.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.023 46.873 21.960 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.901 47.693 23.273 1.00 0.00 H new ATOM 20 N GLN A 2 34.664 53.263 22.341 1.00 0.00 N ATOM 21 CA GLN A 2 35.969 53.760 22.726 1.00 0.00 C ATOM 22 C GLN A 2 36.629 52.848 23.763 1.00 0.00 C ATOM 23 O GLN A 2 35.978 52.462 24.731 1.00 0.00 O ATOM 24 CB GLN A 2 35.796 55.190 23.227 1.00 0.00 C ATOM 25 CG GLN A 2 37.104 55.890 23.589 1.00 0.00 C ATOM 26 CD GLN A 2 36.888 57.360 23.953 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.996 58.265 23.128 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.545 57.673 25.198 1.00 0.00 N ATOM 0 H GLN A 2 33.926 53.579 22.970 1.00 0.00 H new ATOM 0 HA GLN A 2 36.644 53.761 21.870 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.286 55.772 22.460 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.148 55.180 24.103 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.571 55.374 24.428 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.795 55.823 22.749 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.449 56.940 25.900 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.378 58.647 25.451 1.00 0.00 H new ATOM 37 N ILE A 3 37.914 52.548 23.594 1.00 0.00 N ATOM 38 CA ILE A 3 38.747 51.877 24.571 1.00 0.00 C ATOM 39 C ILE A 3 40.117 52.550 24.690 1.00 0.00 C ATOM 40 O ILE A 3 40.525 53.302 23.808 1.00 0.00 O ATOM 41 CB ILE A 3 38.910 50.386 24.289 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.642 50.100 22.981 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.567 49.664 24.366 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.192 48.680 22.887 1.00 0.00 C ATOM 0 H ILE A 3 38.417 52.777 22.737 1.00 0.00 H new ATOM 0 HA ILE A 3 38.226 51.968 25.524 1.00 0.00 H new ATOM 0 HB ILE A 3 39.550 49.986 25.075 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.961 50.273 22.148 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.464 50.807 22.872 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.712 48.603 24.161 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.145 49.786 25.363 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.884 50.086 23.629 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.699 48.549 21.931 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.899 48.509 23.699 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.372 47.966 22.963 1.00 0.00 H new ATOM 56 N PHE A 4 40.863 52.216 25.739 1.00 0.00 N ATOM 57 CA PHE A 4 42.210 52.698 25.966 1.00 0.00 C ATOM 58 C PHE A 4 43.202 51.533 25.996 1.00 0.00 C ATOM 59 O PHE A 4 42.920 50.495 26.589 1.00 0.00 O ATOM 60 CB PHE A 4 42.268 53.497 27.266 1.00 0.00 C ATOM 61 CG PHE A 4 41.086 54.406 27.509 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.005 55.655 26.881 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.048 53.981 28.347 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.891 56.476 27.093 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.941 54.805 28.573 1.00 0.00 C ATOM 66 CZ PHE A 4 38.858 56.049 27.935 1.00 0.00 C ATOM 0 H PHE A 4 40.533 51.586 26.470 1.00 0.00 H new ATOM 0 HA PHE A 4 42.491 53.355 25.143 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.349 52.800 28.100 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.176 54.099 27.265 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.803 55.985 26.232 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.103 53.012 28.821 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.829 57.438 26.607 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.153 54.483 29.237 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.996 56.680 28.093 1.00 0.00 H new ATOM 76 N VAL A 5 44.382 51.700 25.403 1.00 0.00 N ATOM 77 CA VAL A 5 45.479 50.759 25.504 1.00 0.00 C ATOM 78 C VAL A 5 46.653 51.433 26.219 1.00 0.00 C ATOM 79 O VAL A 5 47.131 52.463 25.751 1.00 0.00 O ATOM 80 CB VAL A 5 45.897 50.196 24.149 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.967 49.122 24.318 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.722 49.577 23.396 1.00 0.00 C ATOM 0 H VAL A 5 44.600 52.514 24.828 1.00 0.00 H new ATOM 0 HA VAL A 5 45.142 49.902 26.087 1.00 0.00 H new ATOM 0 HB VAL A 5 46.286 51.037 23.575 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.251 48.734 23.340 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.842 49.553 24.805 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.574 48.310 24.930 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.068 49.190 22.438 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.300 48.763 23.986 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.958 50.336 23.226 1.00 0.00 H new ATOM 92 N LYS A 6 47.120 50.851 27.320 1.00 0.00 N ATOM 93 CA LYS A 6 48.235 51.334 28.110 1.00 0.00 C ATOM 94 C LYS A 6 49.458 50.429 27.956 1.00 0.00 C ATOM 95 O LYS A 6 49.383 49.237 28.245 1.00 0.00 O ATOM 96 CB LYS A 6 47.811 51.474 29.569 1.00 0.00 C ATOM 97 CG LYS A 6 48.914 52.059 30.446 1.00 0.00 C ATOM 98 CD LYS A 6 48.507 52.064 31.917 1.00 0.00 C ATOM 99 CE LYS A 6 49.625 52.588 32.814 1.00 0.00 C ATOM 100 NZ LYS A 6 49.717 54.056 32.820 1.00 0.00 N ATOM 0 H LYS A 6 46.711 49.996 27.697 1.00 0.00 H new ATOM 0 HA LYS A 6 48.527 52.318 27.743 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.929 52.111 29.628 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.524 50.496 29.956 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.828 51.478 30.321 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.137 53.076 30.124 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.618 52.682 32.046 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.239 51.053 32.223 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.461 52.236 33.832 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.576 52.171 32.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.493 54.353 33.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.901 54.396 31.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.822 54.459 33.164 1.00 0.00 H new ATOM 114 N THR A 7 50.598 51.004 27.581 1.00 0.00 N ATOM 115 CA THR A 7 51.883 50.333 27.573 1.00 0.00 C ATOM 116 C THR A 7 52.638 50.567 28.883 1.00 0.00 C ATOM 117 O THR A 7 52.540 51.643 29.469 1.00 0.00 O ATOM 118 CB THR A 7 52.712 50.733 26.356 1.00 0.00 C ATOM 119 OG1 THR A 7 53.952 50.060 26.358 1.00 0.00 O ATOM 120 CG2 THR A 7 53.009 52.226 26.257 1.00 0.00 C ATOM 0 H THR A 7 50.649 51.973 27.268 1.00 0.00 H new ATOM 0 HA THR A 7 51.699 49.261 27.495 1.00 0.00 H new ATOM 0 HB THR A 7 52.095 50.454 25.502 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.470 50.327 25.570 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.602 52.421 25.363 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.072 52.780 26.199 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.565 52.546 27.138 1.00 0.00 H new ATOM 128 N LEU A 8 53.438 49.596 29.314 1.00 0.00 N ATOM 129 CA LEU A 8 54.327 49.719 30.452 1.00 0.00 C ATOM 130 C LEU A 8 55.342 50.852 30.281 1.00 0.00 C ATOM 131 O LEU A 8 55.753 51.464 31.264 1.00 0.00 O ATOM 132 CB LEU A 8 55.056 48.398 30.683 1.00 0.00 C ATOM 133 CG LEU A 8 54.171 47.187 30.965 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.043 45.946 31.135 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.331 47.365 32.227 1.00 0.00 C ATOM 0 H LEU A 8 53.483 48.681 28.866 1.00 0.00 H new ATOM 0 HA LEU A 8 53.714 49.963 31.319 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.664 48.182 29.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.741 48.526 31.521 1.00 0.00 H new ATOM 0 HG LEU A 8 53.495 47.078 30.117 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.410 45.082 31.336 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.613 45.774 30.222 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.730 46.095 31.968 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.719 46.477 32.385 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.988 47.509 33.084 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.685 48.236 32.114 1.00 0.00 H new ATOM 147 N THR A 9 55.668 51.212 29.043 1.00 0.00 N ATOM 148 CA THR A 9 56.514 52.326 28.665 1.00 0.00 C ATOM 149 C THR A 9 55.807 53.680 28.777 1.00 0.00 C ATOM 150 O THR A 9 56.090 54.605 28.020 1.00 0.00 O ATOM 151 CB THR A 9 57.134 52.101 27.290 1.00 0.00 C ATOM 152 OG1 THR A 9 57.396 50.736 27.050 1.00 0.00 O ATOM 153 CG2 THR A 9 58.484 52.792 27.120 1.00 0.00 C ATOM 0 H THR A 9 55.324 50.698 28.232 1.00 0.00 H new ATOM 0 HA THR A 9 57.328 52.367 29.388 1.00 0.00 H new ATOM 0 HB THR A 9 56.396 52.510 26.600 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.791 50.630 26.159 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.871 52.593 26.121 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.362 53.867 27.254 1.00 0.00 H new ATOM 0 HG23 THR A 9 59.184 52.411 27.863 1.00 0.00 H new ATOM 161 N GLY A 10 54.869 53.829 29.707 1.00 0.00 N ATOM 162 CA GLY A 10 54.339 55.103 30.149 1.00 0.00 C ATOM 163 C GLY A 10 53.536 55.893 29.114 1.00 0.00 C ATOM 164 O GLY A 10 53.745 57.098 28.989 1.00 0.00 O ATOM 0 H GLY A 10 54.446 53.035 30.187 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.702 54.928 31.016 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.171 55.723 30.484 1.00 0.00 H new ATOM 168 N LYS A 11 52.661 55.242 28.355 1.00 0.00 N ATOM 169 CA LYS A 11 51.761 55.878 27.413 1.00 0.00 C ATOM 170 C LYS A 11 50.400 55.180 27.359 1.00 0.00 C ATOM 171 O LYS A 11 50.343 53.953 27.408 1.00 0.00 O ATOM 172 CB LYS A 11 52.424 55.959 26.040 1.00 0.00 C ATOM 173 CG LYS A 11 51.654 56.822 25.045 1.00 0.00 C ATOM 174 CD LYS A 11 52.241 56.804 23.637 1.00 0.00 C ATOM 175 CE LYS A 11 53.635 57.423 23.569 1.00 0.00 C ATOM 176 NZ LYS A 11 54.133 57.441 22.185 1.00 0.00 N ATOM 0 H LYS A 11 52.559 54.227 28.383 1.00 0.00 H new ATOM 0 HA LYS A 11 51.561 56.893 27.756 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.431 56.360 26.154 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.526 54.953 25.634 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.620 56.478 25.003 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.634 57.850 25.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.288 55.775 23.281 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.575 57.344 22.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.606 58.439 23.963 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.320 56.856 24.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.060 57.912 22.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.229 56.465 21.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.463 57.959 21.582 1.00 0.00 H new ATOM 190 N THR A 12 49.332 55.951 27.183 1.00 0.00 N ATOM 191 CA THR A 12 47.997 55.474 26.883 1.00 0.00 C ATOM 192 C THR A 12 47.487 56.060 25.565 1.00 0.00 C ATOM 193 O THR A 12 47.594 57.260 25.324 1.00 0.00 O ATOM 194 CB THR A 12 47.036 55.748 28.036 1.00 0.00 C ATOM 195 OG1 THR A 12 47.527 55.136 29.208 1.00 0.00 O ATOM 196 CG2 THR A 12 45.644 55.164 27.810 1.00 0.00 C ATOM 0 H THR A 12 49.381 56.968 27.249 1.00 0.00 H new ATOM 0 HA THR A 12 48.048 54.392 26.760 1.00 0.00 H new ATOM 0 HB THR A 12 46.964 56.833 28.115 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.913 55.312 29.951 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.010 55.394 28.666 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.209 55.598 26.909 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.718 54.083 27.693 1.00 0.00 H new ATOM 204 N ILE A 13 46.931 55.208 24.708 1.00 0.00 N ATOM 205 CA ILE A 13 46.377 55.539 23.411 1.00 0.00 C ATOM 206 C ILE A 13 44.900 55.147 23.333 1.00 0.00 C ATOM 207 O ILE A 13 44.503 54.126 23.888 1.00 0.00 O ATOM 208 CB ILE A 13 47.202 54.947 22.271 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.389 53.438 22.391 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.532 55.689 22.174 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.134 52.768 21.239 1.00 0.00 C ATOM 0 H ILE A 13 46.854 54.213 24.918 1.00 0.00 H new ATOM 0 HA ILE A 13 46.430 56.621 23.290 1.00 0.00 H new ATOM 0 HB ILE A 13 46.649 55.088 21.342 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.926 53.230 23.316 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.406 52.975 22.482 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.124 55.269 21.361 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.346 56.745 21.980 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.077 55.583 23.112 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.209 51.697 21.428 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.591 52.935 20.309 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.134 53.193 21.156 1.00 0.00 H new ATOM 223 N THR A 14 44.093 55.949 22.644 1.00 0.00 N ATOM 224 CA THR A 14 42.652 55.805 22.575 1.00 0.00 C ATOM 225 C THR A 14 42.214 55.279 21.208 1.00 0.00 C ATOM 226 O THR A 14 42.400 55.952 20.196 1.00 0.00 O ATOM 227 CB THR A 14 41.951 57.124 22.888 1.00 0.00 C ATOM 228 OG1 THR A 14 42.324 57.599 24.162 1.00 0.00 O ATOM 229 CG2 THR A 14 40.433 56.973 22.934 1.00 0.00 C ATOM 0 H THR A 14 44.441 56.741 22.103 1.00 0.00 H new ATOM 0 HA THR A 14 42.360 55.075 23.330 1.00 0.00 H new ATOM 0 HB THR A 14 42.247 57.808 22.092 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.865 58.446 24.343 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.978 57.937 23.160 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.073 56.619 21.968 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.162 56.254 23.707 1.00 0.00 H new ATOM 237 N LEU A 15 41.639 54.080 21.185 1.00 0.00 N ATOM 238 CA LEU A 15 41.265 53.350 19.990 1.00 0.00 C ATOM 239 C LEU A 15 39.748 53.247 19.819 1.00 0.00 C ATOM 240 O LEU A 15 38.981 53.363 20.772 1.00 0.00 O ATOM 241 CB LEU A 15 41.911 51.968 20.003 1.00 0.00 C ATOM 242 CG LEU A 15 43.303 51.892 19.382 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.369 52.655 20.163 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.743 50.434 19.298 1.00 0.00 C ATOM 0 H LEU A 15 41.413 53.573 22.041 1.00 0.00 H new ATOM 0 HA LEU A 15 41.634 53.910 19.131 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.973 51.624 21.035 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.257 51.275 19.474 1.00 0.00 H new ATOM 0 HG LEU A 15 43.218 52.354 18.399 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.331 52.554 19.660 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.096 53.709 20.216 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.443 52.248 21.171 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.737 50.379 18.855 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.768 50.003 20.299 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.039 49.876 18.680 1.00 0.00 H new ATOM 256 N GLU A 16 39.318 52.987 18.587 1.00 0.00 N ATOM 257 CA GLU A 16 37.947 52.695 18.218 1.00 0.00 C ATOM 258 C GLU A 16 37.795 51.216 17.856 1.00 0.00 C ATOM 259 O GLU A 16 38.583 50.669 17.087 1.00 0.00 O ATOM 260 CB GLU A 16 37.542 53.641 17.092 1.00 0.00 C ATOM 261 CG GLU A 16 36.090 53.512 16.637 1.00 0.00 C ATOM 262 CD GLU A 16 35.060 53.869 17.710 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.923 53.354 17.629 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.335 54.687 18.615 1.00 0.00 O ATOM 0 H GLU A 16 39.950 52.975 17.786 1.00 0.00 H new ATOM 0 HA GLU A 16 37.271 52.864 19.056 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.716 54.666 17.418 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.193 53.464 16.236 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.934 54.156 15.772 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.914 52.488 16.308 1.00 0.00 H new ATOM 271 N VAL A 17 36.816 50.544 18.454 1.00 0.00 N ATOM 272 CA VAL A 17 36.565 49.119 18.365 1.00 0.00 C ATOM 273 C VAL A 17 35.068 48.822 18.472 1.00 0.00 C ATOM 274 O VAL A 17 34.280 49.703 18.808 1.00 0.00 O ATOM 275 CB VAL A 17 37.298 48.358 19.465 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.817 48.479 19.388 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.843 48.775 20.861 1.00 0.00 C ATOM 0 H VAL A 17 36.136 51.015 19.051 1.00 0.00 H new ATOM 0 HA VAL A 17 36.935 48.789 17.394 1.00 0.00 H new ATOM 0 HB VAL A 17 37.032 47.315 19.290 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.269 47.912 20.202 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.166 48.084 18.434 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.103 49.527 19.473 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.394 48.205 21.609 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.033 49.839 21.003 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.776 48.580 20.969 1.00 0.00 H new ATOM 287 N GLU A 18 34.655 47.573 18.277 1.00 0.00 N ATOM 288 CA GLU A 18 33.319 47.081 18.546 1.00 0.00 C ATOM 289 C GLU A 18 33.361 45.795 19.373 1.00 0.00 C ATOM 290 O GLU A 18 34.386 45.117 19.373 1.00 0.00 O ATOM 291 CB GLU A 18 32.575 46.837 17.235 1.00 0.00 C ATOM 292 CG GLU A 18 32.214 48.104 16.465 1.00 0.00 C ATOM 293 CD GLU A 18 31.341 49.056 17.285 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.378 48.595 17.934 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.624 50.274 17.312 1.00 0.00 O ATOM 0 H GLU A 18 35.274 46.849 17.911 1.00 0.00 H new ATOM 0 HA GLU A 18 32.789 47.839 19.123 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.189 46.202 16.597 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.660 46.284 17.449 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.128 48.618 16.168 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.689 47.832 15.549 1.00 0.00 H new ATOM 302 N PRO A 19 32.291 45.388 20.050 1.00 0.00 N ATOM 303 CA PRO A 19 32.236 44.116 20.743 1.00 0.00 C ATOM 304 C PRO A 19 32.469 42.886 19.863 1.00 0.00 C ATOM 305 O PRO A 19 32.978 41.876 20.342 1.00 0.00 O ATOM 306 CB PRO A 19 30.860 44.072 21.401 1.00 0.00 C ATOM 307 CG PRO A 19 30.500 45.543 21.593 1.00 0.00 C ATOM 308 CD PRO A 19 31.124 46.189 20.360 1.00 0.00 C ATOM 0 HA PRO A 19 33.056 44.064 21.460 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.132 43.561 20.771 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.888 43.540 22.352 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.422 45.697 21.632 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.913 45.946 22.518 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.423 46.200 19.526 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.400 47.225 20.557 1.00 0.00 H new ATOM 316 N SER A 20 32.127 42.957 18.580 1.00 0.00 N ATOM 317 CA SER A 20 32.429 41.958 17.577 1.00 0.00 C ATOM 318 C SER A 20 33.756 42.183 16.849 1.00 0.00 C ATOM 319 O SER A 20 34.091 41.419 15.947 1.00 0.00 O ATOM 320 CB SER A 20 31.281 41.850 16.577 1.00 0.00 C ATOM 321 OG SER A 20 31.022 43.099 15.975 1.00 0.00 O ATOM 0 H SER A 20 31.609 43.750 18.201 1.00 0.00 H new ATOM 0 HA SER A 20 32.544 41.017 18.115 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.529 41.116 15.810 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.384 41.492 17.083 1.00 0.00 H new ATOM 0 HG SER A 20 30.284 43.008 15.336 1.00 0.00 H new ATOM 327 N ASP A 21 34.530 43.206 17.201 1.00 0.00 N ATOM 328 CA ASP A 21 35.860 43.420 16.666 1.00 0.00 C ATOM 329 C ASP A 21 36.862 42.447 17.290 1.00 0.00 C ATOM 330 O ASP A 21 36.656 41.965 18.403 1.00 0.00 O ATOM 331 CB ASP A 21 36.268 44.877 16.856 1.00 0.00 C ATOM 332 CG ASP A 21 37.443 45.319 15.982 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.884 44.545 15.104 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.866 46.486 16.122 1.00 0.00 O ATOM 0 H ASP A 21 34.242 43.916 17.875 1.00 0.00 H new ATOM 0 HA ASP A 21 35.854 43.216 15.595 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.410 45.514 16.641 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.528 45.036 17.902 1.00 0.00 H new ATOM 339 N THR A 22 37.947 42.144 16.584 1.00 0.00 N ATOM 340 CA THR A 22 38.896 41.101 16.919 1.00 0.00 C ATOM 341 C THR A 22 40.204 41.648 17.494 1.00 0.00 C ATOM 342 O THR A 22 40.673 42.710 17.090 1.00 0.00 O ATOM 343 CB THR A 22 39.101 40.158 15.738 1.00 0.00 C ATOM 344 OG1 THR A 22 39.930 39.088 16.132 1.00 0.00 O ATOM 345 CG2 THR A 22 39.725 40.803 14.503 1.00 0.00 C ATOM 0 H THR A 22 38.194 42.642 15.729 1.00 0.00 H new ATOM 0 HA THR A 22 38.466 40.511 17.728 1.00 0.00 H new ATOM 0 HB THR A 22 38.101 39.831 15.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.753 38.865 17.070 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.831 40.056 13.717 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.084 41.611 14.151 1.00 0.00 H new ATOM 0 HG23 THR A 22 40.706 41.204 14.758 1.00 0.00 H new ATOM 353 N ILE A 23 40.827 40.924 18.419 1.00 0.00 N ATOM 354 CA ILE A 23 42.033 41.359 19.096 1.00 0.00 C ATOM 355 C ILE A 23 43.200 41.545 18.125 1.00 0.00 C ATOM 356 O ILE A 23 43.921 42.533 18.244 1.00 0.00 O ATOM 357 CB ILE A 23 42.332 40.441 20.279 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.302 40.556 21.399 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.737 40.643 20.838 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.226 41.887 22.141 1.00 0.00 C ATOM 0 H ILE A 23 40.499 40.006 18.720 1.00 0.00 H new ATOM 0 HA ILE A 23 41.871 42.353 19.513 1.00 0.00 H new ATOM 0 HB ILE A 23 42.269 39.432 19.873 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.319 40.348 20.977 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.508 39.773 22.129 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.896 39.965 21.677 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.472 40.436 20.060 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.849 41.673 21.177 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.455 41.832 22.909 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.188 42.099 22.607 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.981 42.682 21.437 1.00 0.00 H new ATOM 372 N GLU A 24 43.345 40.724 17.090 1.00 0.00 N ATOM 373 CA GLU A 24 44.349 40.925 16.065 1.00 0.00 C ATOM 374 C GLU A 24 44.179 42.213 15.259 1.00 0.00 C ATOM 375 O GLU A 24 45.172 42.791 14.823 1.00 0.00 O ATOM 376 CB GLU A 24 44.446 39.690 15.175 1.00 0.00 C ATOM 377 CG GLU A 24 43.200 39.405 14.340 1.00 0.00 C ATOM 378 CD GLU A 24 43.324 38.123 13.515 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.392 37.867 12.918 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.327 37.378 13.393 1.00 0.00 O ATOM 0 H GLU A 24 42.764 39.899 16.943 1.00 0.00 H new ATOM 0 HA GLU A 24 45.299 41.061 16.582 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.297 39.808 14.504 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.653 38.823 15.802 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.336 39.326 14.999 1.00 0.00 H new ATOM 0 HG3 GLU A 24 43.015 40.246 13.672 1.00 0.00 H new ATOM 387 N ASN A 25 42.960 42.729 15.125 1.00 0.00 N ATOM 388 CA ASN A 25 42.698 44.032 14.550 1.00 0.00 C ATOM 389 C ASN A 25 43.061 45.151 15.528 1.00 0.00 C ATOM 390 O ASN A 25 43.621 46.165 15.118 1.00 0.00 O ATOM 391 CB ASN A 25 41.245 44.113 14.091 1.00 0.00 C ATOM 392 CG ASN A 25 40.908 45.418 13.370 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.689 45.982 12.606 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.709 45.954 13.584 1.00 0.00 N ATOM 0 H ASN A 25 42.116 42.239 15.420 1.00 0.00 H new ATOM 0 HA ASN A 25 43.333 44.169 13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.034 43.275 13.427 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.592 44.006 14.957 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.448 46.822 13.117 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.051 45.497 14.215 1.00 0.00 H new ATOM 401 N VAL A 26 42.843 44.978 16.829 1.00 0.00 N ATOM 402 CA VAL A 26 43.346 45.902 17.825 1.00 0.00 C ATOM 403 C VAL A 26 44.873 45.984 17.776 1.00 0.00 C ATOM 404 O VAL A 26 45.421 47.085 17.777 1.00 0.00 O ATOM 405 CB VAL A 26 42.853 45.575 19.231 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.308 46.616 20.250 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.328 45.542 19.293 1.00 0.00 C ATOM 0 H VAL A 26 42.315 44.195 17.215 1.00 0.00 H new ATOM 0 HA VAL A 26 42.943 46.884 17.576 1.00 0.00 H new ATOM 0 HB VAL A 26 43.274 44.598 19.469 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.935 46.345 21.238 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.397 46.653 20.271 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.917 47.594 19.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.010 45.306 20.309 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.931 46.516 19.005 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.952 44.781 18.609 1.00 0.00 H new ATOM 417 N LYS A 27 45.569 44.861 17.625 1.00 0.00 N ATOM 418 CA LYS A 27 47.011 44.823 17.477 1.00 0.00 C ATOM 419 C LYS A 27 47.493 45.493 16.189 1.00 0.00 C ATOM 420 O LYS A 27 48.484 46.218 16.220 1.00 0.00 O ATOM 421 CB LYS A 27 47.513 43.387 17.592 1.00 0.00 C ATOM 422 CG LYS A 27 47.201 42.788 18.960 1.00 0.00 C ATOM 423 CD LYS A 27 47.553 41.307 19.060 1.00 0.00 C ATOM 424 CE LYS A 27 49.030 41.146 19.410 1.00 0.00 C ATOM 425 NZ LYS A 27 49.475 39.744 19.370 1.00 0.00 N ATOM 0 H LYS A 27 45.134 43.939 17.602 1.00 0.00 H new ATOM 0 HA LYS A 27 47.440 45.407 18.291 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.053 42.777 16.814 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.589 43.363 17.421 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.750 43.338 19.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.140 42.918 19.173 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.936 40.828 19.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 47.338 40.809 18.115 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.630 41.733 18.714 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.209 41.551 20.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.358 39.645 19.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.743 39.135 19.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.639 39.460 18.383 1.00 0.00 H new ATOM 439 N ALA A 28 46.768 45.335 15.084 1.00 0.00 N ATOM 440 CA ALA A 28 47.024 46.049 13.850 1.00 0.00 C ATOM 441 C ALA A 28 46.786 47.557 13.963 1.00 0.00 C ATOM 442 O ALA A 28 47.484 48.336 13.318 1.00 0.00 O ATOM 443 CB ALA A 28 46.185 45.423 12.739 1.00 0.00 C ATOM 0 H ALA A 28 45.975 44.696 15.027 1.00 0.00 H new ATOM 0 HA ALA A 28 48.083 45.950 13.612 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.368 45.951 11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.459 44.374 12.623 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.128 45.496 12.996 1.00 0.00 H new ATOM 449 N LYS A 29 45.864 47.999 14.812 1.00 0.00 N ATOM 450 CA LYS A 29 45.628 49.396 15.115 1.00 0.00 C ATOM 451 C LYS A 29 46.702 49.982 16.033 1.00 0.00 C ATOM 452 O LYS A 29 47.156 51.103 15.813 1.00 0.00 O ATOM 453 CB LYS A 29 44.210 49.569 15.651 1.00 0.00 C ATOM 454 CG LYS A 29 43.179 49.432 14.535 1.00 0.00 C ATOM 455 CD LYS A 29 41.732 49.645 14.970 1.00 0.00 C ATOM 456 CE LYS A 29 41.066 48.371 15.482 1.00 0.00 C ATOM 457 NZ LYS A 29 39.610 48.550 15.590 1.00 0.00 N ATOM 0 H LYS A 29 45.243 47.370 15.322 1.00 0.00 H new ATOM 0 HA LYS A 29 45.708 49.976 14.195 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.016 48.824 16.422 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.113 50.547 16.122 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.417 50.150 13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.269 48.438 14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.702 50.403 15.753 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.159 50.034 14.128 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.286 47.544 14.807 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.478 48.106 16.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.172 47.656 15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.402 49.291 16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.225 48.830 14.665 1.00 0.00 H new ATOM 471 N ILE A 30 47.217 49.214 16.989 1.00 0.00 N ATOM 472 CA ILE A 30 48.380 49.559 17.781 1.00 0.00 C ATOM 473 C ILE A 30 49.628 49.688 16.907 1.00 0.00 C ATOM 474 O ILE A 30 50.410 50.617 17.095 1.00 0.00 O ATOM 475 CB ILE A 30 48.571 48.554 18.914 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.434 48.637 19.929 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.904 48.745 19.631 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.300 47.393 20.802 1.00 0.00 C ATOM 0 H ILE A 30 46.820 48.308 17.237 1.00 0.00 H new ATOM 0 HA ILE A 30 48.213 50.536 18.234 1.00 0.00 H new ATOM 0 HB ILE A 30 48.567 47.567 18.451 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.593 49.504 20.570 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.496 48.801 19.398 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.997 48.008 20.429 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.721 48.615 18.921 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.948 49.748 20.056 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.472 47.525 21.498 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.109 46.525 20.171 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.223 47.240 21.361 1.00 0.00 H new ATOM 490 N GLN A 31 49.807 48.824 15.911 1.00 0.00 N ATOM 491 CA GLN A 31 50.861 48.932 14.924 1.00 0.00 C ATOM 492 C GLN A 31 50.773 50.229 14.118 1.00 0.00 C ATOM 493 O GLN A 31 51.789 50.880 13.887 1.00 0.00 O ATOM 494 CB GLN A 31 50.811 47.723 13.995 1.00 0.00 C ATOM 495 CG GLN A 31 52.006 47.648 13.049 1.00 0.00 C ATOM 496 CD GLN A 31 51.859 46.566 11.977 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.780 46.050 11.695 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.950 46.177 11.322 1.00 0.00 N ATOM 0 H GLN A 31 49.205 48.012 15.771 1.00 0.00 H new ATOM 0 HA GLN A 31 51.814 48.954 15.453 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.771 46.813 14.594 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.893 47.760 13.409 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.139 48.615 12.564 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.909 47.456 13.629 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.854 46.595 11.543 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.882 45.461 10.599 1.00 0.00 H new ATOM 507 N ASP A 32 49.578 50.637 13.699 1.00 0.00 N ATOM 508 CA ASP A 32 49.367 51.895 13.013 1.00 0.00 C ATOM 509 C ASP A 32 49.686 53.104 13.895 1.00 0.00 C ATOM 510 O ASP A 32 50.353 54.029 13.437 1.00 0.00 O ATOM 511 CB ASP A 32 47.932 51.912 12.492 1.00 0.00 C ATOM 512 CG ASP A 32 47.550 53.230 11.815 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.232 53.649 10.855 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.534 53.831 12.225 1.00 0.00 O ATOM 0 H ASP A 32 48.725 50.094 13.831 1.00 0.00 H new ATOM 0 HA ASP A 32 50.059 51.975 12.175 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.801 51.095 11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.249 51.726 13.321 1.00 0.00 H new ATOM 519 N LYS A 33 49.280 53.084 15.161 1.00 0.00 N ATOM 520 CA LYS A 33 49.488 54.156 16.113 1.00 0.00 C ATOM 521 C LYS A 33 50.947 54.301 16.554 1.00 0.00 C ATOM 522 O LYS A 33 51.518 55.381 16.417 1.00 0.00 O ATOM 523 CB LYS A 33 48.534 53.950 17.286 1.00 0.00 C ATOM 524 CG LYS A 33 48.292 55.159 18.185 1.00 0.00 C ATOM 525 CD LYS A 33 47.548 56.283 17.472 1.00 0.00 C ATOM 526 CE LYS A 33 46.899 57.272 18.435 1.00 0.00 C ATOM 527 NZ LYS A 33 46.017 58.197 17.707 1.00 0.00 N ATOM 0 H LYS A 33 48.780 52.290 15.561 1.00 0.00 H new ATOM 0 HA LYS A 33 49.264 55.105 15.627 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.573 53.620 16.891 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.921 53.138 17.902 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.720 54.848 19.059 1.00 0.00 H new ATOM 0 HG3 LYS A 33 49.249 55.535 18.547 1.00 0.00 H new ATOM 0 HD2 LYS A 33 48.243 56.818 16.824 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.780 55.853 16.829 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.326 56.732 19.189 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.670 57.834 18.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.583 58.863 18.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.572 58.725 17.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.271 57.657 17.224 1.00 0.00 H new ATOM 541 N GLU A 34 51.567 53.229 17.040 1.00 0.00 N ATOM 542 CA GLU A 34 52.829 53.221 17.749 1.00 0.00 C ATOM 543 C GLU A 34 53.915 52.337 17.130 1.00 0.00 C ATOM 544 O GLU A 34 55.039 52.309 17.627 1.00 0.00 O ATOM 545 CB GLU A 34 52.579 52.822 19.201 1.00 0.00 C ATOM 546 CG GLU A 34 51.899 53.886 20.056 1.00 0.00 C ATOM 547 CD GLU A 34 52.812 55.084 20.326 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.871 54.924 20.971 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.497 56.211 19.889 1.00 0.00 O ATOM 0 H GLU A 34 51.174 52.293 16.940 1.00 0.00 H new ATOM 0 HA GLU A 34 53.226 54.234 17.680 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.965 51.921 19.214 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.533 52.564 19.660 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.993 54.228 19.555 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.591 53.445 21.004 1.00 0.00 H new ATOM 556 N GLY A 35 53.638 51.606 16.055 1.00 0.00 N ATOM 557 CA GLY A 35 54.641 50.951 15.239 1.00 0.00 C ATOM 558 C GLY A 35 55.102 49.555 15.662 1.00 0.00 C ATOM 559 O GLY A 35 55.868 48.945 14.919 1.00 0.00 O ATOM 0 H GLY A 35 52.686 51.452 15.724 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.254 50.882 14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.518 51.597 15.203 1.00 0.00 H new ATOM 563 N ILE A 36 54.650 49.014 16.790 1.00 0.00 N ATOM 564 CA ILE A 36 55.061 47.710 17.269 1.00 0.00 C ATOM 565 C ILE A 36 54.476 46.611 16.381 1.00 0.00 C ATOM 566 O ILE A 36 53.259 46.606 16.203 1.00 0.00 O ATOM 567 CB ILE A 36 54.671 47.474 18.725 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.050 48.618 19.662 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.326 46.193 19.235 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.881 49.564 19.929 1.00 0.00 C ATOM 0 H ILE A 36 53.979 49.480 17.401 1.00 0.00 H new ATOM 0 HA ILE A 36 56.149 47.678 17.218 1.00 0.00 H new ATOM 0 HB ILE A 36 53.584 47.398 18.732 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.405 48.207 20.607 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.877 49.180 19.228 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.044 46.029 20.275 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.993 45.349 18.632 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.410 46.285 19.163 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.203 50.360 20.601 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.542 49.998 18.988 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.062 49.010 20.389 1.00 0.00 H new ATOM 582 N PRO A 37 55.251 45.662 15.864 1.00 0.00 N ATOM 583 CA PRO A 37 54.728 44.556 15.088 1.00 0.00 C ATOM 584 C PRO A 37 53.719 43.728 15.888 1.00 0.00 C ATOM 585 O PRO A 37 54.041 43.355 17.013 1.00 0.00 O ATOM 586 CB PRO A 37 55.928 43.702 14.686 1.00 0.00 C ATOM 587 CG PRO A 37 57.102 44.673 14.760 1.00 0.00 C ATOM 588 CD PRO A 37 56.698 45.598 15.905 1.00 0.00 C ATOM 0 HA PRO A 37 54.192 44.926 14.214 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.063 42.858 15.362 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.810 43.292 13.683 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.041 44.159 14.966 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.236 45.219 13.826 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.046 45.211 16.863 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.138 46.588 15.783 1.00 0.00 H new ATOM 596 N PRO A 38 52.534 43.419 15.371 1.00 0.00 N ATOM 597 CA PRO A 38 51.509 42.683 16.083 1.00 0.00 C ATOM 598 C PRO A 38 51.981 41.399 16.769 1.00 0.00 C ATOM 599 O PRO A 38 51.645 41.175 17.930 1.00 0.00 O ATOM 600 CB PRO A 38 50.426 42.394 15.048 1.00 0.00 C ATOM 601 CG PRO A 38 50.485 43.636 14.162 1.00 0.00 C ATOM 602 CD PRO A 38 51.978 43.952 14.143 1.00 0.00 C ATOM 0 HA PRO A 38 51.154 43.286 16.919 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.633 41.483 14.486 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.446 42.269 15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.098 43.441 13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.901 44.458 14.575 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.458 43.502 13.274 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.145 45.027 14.078 1.00 0.00 H new ATOM 610 N ASP A 39 52.827 40.600 16.125 1.00 0.00 N ATOM 611 CA ASP A 39 53.360 39.384 16.708 1.00 0.00 C ATOM 612 C ASP A 39 54.291 39.618 17.898 1.00 0.00 C ATOM 613 O ASP A 39 54.409 38.738 18.748 1.00 0.00 O ATOM 614 CB ASP A 39 54.000 38.522 15.624 1.00 0.00 C ATOM 615 CG ASP A 39 55.318 39.092 15.094 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.282 40.127 14.393 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.375 38.478 15.353 1.00 0.00 O ATOM 0 H ASP A 39 53.161 40.784 15.179 1.00 0.00 H new ATOM 0 HA ASP A 39 52.517 38.840 17.134 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.179 37.523 16.023 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.300 38.414 14.795 1.00 0.00 H new ATOM 622 N GLN A 40 54.891 40.797 18.031 1.00 0.00 N ATOM 623 CA GLN A 40 55.696 41.192 19.171 1.00 0.00 C ATOM 624 C GLN A 40 54.878 41.806 20.308 1.00 0.00 C ATOM 625 O GLN A 40 55.408 42.001 21.399 1.00 0.00 O ATOM 626 CB GLN A 40 56.818 42.128 18.732 1.00 0.00 C ATOM 627 CG GLN A 40 57.770 41.499 17.717 1.00 0.00 C ATOM 628 CD GLN A 40 58.885 42.442 17.260 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.130 43.512 17.814 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.619 42.074 16.214 1.00 0.00 N ATOM 0 H GLN A 40 54.825 41.526 17.320 1.00 0.00 H new ATOM 0 HA GLN A 40 56.132 40.279 19.577 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.382 43.029 18.300 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.387 42.438 19.609 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.217 40.606 18.155 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.199 41.176 16.847 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.429 41.189 15.743 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.372 42.676 15.882 1.00 0.00 H new ATOM 639 N GLN A 41 53.596 42.086 20.092 1.00 0.00 N ATOM 640 CA GLN A 41 52.681 42.578 21.104 1.00 0.00 C ATOM 641 C GLN A 41 52.006 41.430 21.857 1.00 0.00 C ATOM 642 O GLN A 41 51.530 40.482 21.238 1.00 0.00 O ATOM 643 CB GLN A 41 51.595 43.442 20.469 1.00 0.00 C ATOM 644 CG GLN A 41 52.021 44.663 19.657 1.00 0.00 C ATOM 645 CD GLN A 41 50.820 45.281 18.940 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.684 45.208 19.403 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.977 45.890 17.767 1.00 0.00 N ATOM 0 H GLN A 41 53.157 41.972 19.178 1.00 0.00 H new ATOM 0 HA GLN A 41 53.270 43.169 21.806 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.000 42.802 19.818 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.936 43.787 21.266 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.478 45.402 20.315 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.778 44.375 18.927 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.906 45.969 17.353 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.168 46.278 17.282 1.00 0.00 H new ATOM 656 N ARG A 42 51.858 41.566 23.172 1.00 0.00 N ATOM 657 CA ARG A 42 50.981 40.769 24.007 1.00 0.00 C ATOM 658 C ARG A 42 49.943 41.668 24.683 1.00 0.00 C ATOM 659 O ARG A 42 50.322 42.680 25.269 1.00 0.00 O ATOM 660 CB ARG A 42 51.763 39.998 25.066 1.00 0.00 C ATOM 661 CG ARG A 42 52.952 39.196 24.546 1.00 0.00 C ATOM 662 CD ARG A 42 53.385 38.121 25.539 1.00 0.00 C ATOM 663 NE ARG A 42 52.466 36.983 25.507 1.00 0.00 N ATOM 664 CZ ARG A 42 52.340 36.011 26.422 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.043 35.975 27.562 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.463 35.015 26.236 1.00 0.00 N ATOM 0 H ARG A 42 52.372 42.269 23.703 1.00 0.00 H new ATOM 0 HA ARG A 42 50.478 40.045 23.366 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.122 40.704 25.814 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.080 39.316 25.573 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.689 38.730 23.596 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.787 39.869 24.351 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.395 37.786 25.301 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.417 38.540 26.545 1.00 0.00 H new ATOM 0 HE ARG A 42 51.851 36.922 24.696 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.716 36.713 27.770 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.905 35.210 28.222 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.887 34.993 25.395 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.372 34.278 26.936 1.00 0.00 H new ATOM 680 N LEU A 43 48.664 41.307 24.635 1.00 0.00 N ATOM 681 CA LEU A 43 47.593 42.040 25.279 1.00 0.00 C ATOM 682 C LEU A 43 47.004 41.278 26.468 1.00 0.00 C ATOM 683 O LEU A 43 46.752 40.078 26.381 1.00 0.00 O ATOM 684 CB LEU A 43 46.536 42.449 24.258 1.00 0.00 C ATOM 685 CG LEU A 43 47.024 43.445 23.210 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.988 43.587 22.098 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.270 44.834 23.791 1.00 0.00 C ATOM 0 H LEU A 43 48.343 40.478 24.135 1.00 0.00 H new ATOM 0 HA LEU A 43 48.014 42.954 25.697 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.173 41.555 23.751 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.687 42.883 24.786 1.00 0.00 H new ATOM 0 HG LEU A 43 47.966 43.050 22.829 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.346 44.300 21.356 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.828 42.619 21.624 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.048 43.944 22.520 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.616 45.502 23.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.343 45.221 24.214 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.027 44.773 24.572 1.00 0.00 H new ATOM 699 N ILE A 44 46.801 41.982 27.579 1.00 0.00 N ATOM 700 CA ILE A 44 46.403 41.434 28.859 1.00 0.00 C ATOM 701 C ILE A 44 45.179 42.172 29.406 1.00 0.00 C ATOM 702 O ILE A 44 45.213 43.387 29.592 1.00 0.00 O ATOM 703 CB ILE A 44 47.564 41.450 29.850 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.772 40.686 29.315 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.146 40.889 31.207 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.016 40.747 30.197 1.00 0.00 C ATOM 0 H ILE A 44 46.917 42.995 27.605 1.00 0.00 H new ATOM 0 HA ILE A 44 46.121 40.391 28.712 1.00 0.00 H new ATOM 0 HB ILE A 44 47.852 42.493 29.982 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.492 39.641 29.180 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.024 41.078 28.330 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.996 40.915 31.889 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.335 41.491 31.615 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.808 39.860 31.087 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.819 40.175 29.733 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.329 41.785 30.313 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.789 40.325 31.176 1.00 0.00 H new ATOM 718 N PHE A 45 44.121 41.433 29.726 1.00 0.00 N ATOM 719 CA PHE A 45 42.912 41.950 30.332 1.00 0.00 C ATOM 720 C PHE A 45 42.566 41.235 31.640 1.00 0.00 C ATOM 721 O PHE A 45 42.340 40.027 31.644 1.00 0.00 O ATOM 722 CB PHE A 45 41.748 41.916 29.346 1.00 0.00 C ATOM 723 CG PHE A 45 40.516 42.667 29.791 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.612 43.974 30.283 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.255 42.071 29.670 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.463 44.665 30.688 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.103 42.761 30.066 1.00 0.00 C ATOM 728 CZ PHE A 45 38.205 44.062 30.573 1.00 0.00 C ATOM 0 H PHE A 45 44.087 40.427 29.563 1.00 0.00 H new ATOM 0 HA PHE A 45 43.101 42.992 30.590 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.084 42.329 28.395 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.476 40.876 29.163 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.578 44.452 30.351 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.170 41.072 29.268 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.548 45.664 31.089 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.135 42.289 29.980 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.317 44.598 30.874 1.00 0.00 H new ATOM 738 N ALA A 46 42.509 41.976 32.743 1.00 0.00 N ATOM 739 CA ALA A 46 42.203 41.484 34.071 1.00 0.00 C ATOM 740 C ALA A 46 42.991 40.231 34.456 1.00 0.00 C ATOM 741 O ALA A 46 42.422 39.214 34.850 1.00 0.00 O ATOM 742 CB ALA A 46 40.690 41.371 34.218 1.00 0.00 C ATOM 0 H ALA A 46 42.684 42.981 32.728 1.00 0.00 H new ATOM 0 HA ALA A 46 42.550 42.205 34.811 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.448 41.001 35.214 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.236 42.352 34.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.302 40.679 33.470 1.00 0.00 H new ATOM 748 N GLY A 47 44.307 40.274 34.269 1.00 0.00 N ATOM 749 CA GLY A 47 45.236 39.208 34.585 1.00 0.00 C ATOM 750 C GLY A 47 45.380 38.100 33.540 1.00 0.00 C ATOM 751 O GLY A 47 46.330 37.324 33.617 1.00 0.00 O ATOM 0 H GLY A 47 44.770 41.093 33.875 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.218 39.649 34.753 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.926 38.753 35.526 1.00 0.00 H new ATOM 755 N LYS A 48 44.498 38.032 32.548 1.00 0.00 N ATOM 756 CA LYS A 48 44.476 37.009 31.522 1.00 0.00 C ATOM 757 C LYS A 48 45.200 37.452 30.249 1.00 0.00 C ATOM 758 O LYS A 48 44.957 38.546 29.745 1.00 0.00 O ATOM 759 CB LYS A 48 43.036 36.629 31.185 1.00 0.00 C ATOM 760 CG LYS A 48 42.249 36.018 32.340 1.00 0.00 C ATOM 761 CD LYS A 48 42.804 34.659 32.758 1.00 0.00 C ATOM 762 CE LYS A 48 41.957 34.030 33.860 1.00 0.00 C ATOM 763 NZ LYS A 48 42.565 32.768 34.311 1.00 0.00 N ATOM 0 H LYS A 48 43.751 38.718 32.437 1.00 0.00 H new ATOM 0 HA LYS A 48 45.003 36.143 31.922 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.512 37.519 30.837 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.046 35.921 30.356 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.272 36.696 33.193 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.204 35.908 32.048 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.833 33.994 31.895 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.830 34.774 33.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.869 34.720 34.699 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.948 33.845 33.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.979 32.349 35.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 42.627 32.107 33.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 43.519 32.955 34.680 1.00 0.00 H new ATOM 777 N GLN A 49 46.036 36.572 29.703 1.00 0.00 N ATOM 778 CA GLN A 49 46.669 36.756 28.413 1.00 0.00 C ATOM 779 C GLN A 49 45.670 36.449 27.295 1.00 0.00 C ATOM 780 O GLN A 49 45.161 35.334 27.209 1.00 0.00 O ATOM 781 CB GLN A 49 47.888 35.845 28.306 1.00 0.00 C ATOM 782 CG GLN A 49 48.992 36.238 29.283 1.00 0.00 C ATOM 783 CD GLN A 49 50.119 35.207 29.355 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.187 34.239 28.601 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.073 35.394 30.263 1.00 0.00 N ATOM 0 H GLN A 49 46.293 35.696 30.159 1.00 0.00 H new ATOM 0 HA GLN A 49 46.994 37.791 28.312 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.587 34.815 28.497 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.277 35.880 27.288 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.406 37.201 28.986 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.562 36.368 30.276 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.027 36.194 30.894 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.851 34.737 30.328 1.00 0.00 H new ATOM 794 N LEU A 50 45.375 37.426 26.443 1.00 0.00 N ATOM 795 CA LEU A 50 44.422 37.266 25.363 1.00 0.00 C ATOM 796 C LEU A 50 45.033 36.545 24.159 1.00 0.00 C ATOM 797 O LEU A 50 46.066 36.962 23.641 1.00 0.00 O ATOM 798 CB LEU A 50 43.835 38.613 24.952 1.00 0.00 C ATOM 799 CG LEU A 50 43.190 39.422 26.074 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.499 40.641 25.469 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.159 38.626 26.868 1.00 0.00 C ATOM 0 H LEU A 50 45.796 38.354 26.487 1.00 0.00 H new ATOM 0 HA LEU A 50 43.613 36.638 25.737 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.628 39.213 24.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.089 38.442 24.176 1.00 0.00 H new ATOM 0 HG LEU A 50 43.985 39.707 26.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.034 41.227 26.262 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.234 41.254 24.948 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.735 40.314 24.764 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.737 39.256 27.651 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.363 38.294 26.201 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.639 37.758 27.320 1.00 0.00 H new ATOM 813 N GLU A 51 44.359 35.497 23.693 1.00 0.00 N ATOM 814 CA GLU A 51 44.533 34.876 22.396 1.00 0.00 C ATOM 815 C GLU A 51 43.907 35.753 21.309 1.00 0.00 C ATOM 816 O GLU A 51 42.845 36.339 21.509 1.00 0.00 O ATOM 817 CB GLU A 51 43.956 33.466 22.471 1.00 0.00 C ATOM 818 CG GLU A 51 43.940 32.642 21.185 1.00 0.00 C ATOM 819 CD GLU A 51 43.442 31.220 21.451 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.155 30.241 21.140 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.307 31.045 21.943 1.00 0.00 O ATOM 0 H GLU A 51 43.637 35.037 24.247 1.00 0.00 H new ATOM 0 HA GLU A 51 45.585 34.786 22.124 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.521 32.911 23.220 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.932 33.541 22.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.298 33.124 20.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.943 32.606 20.759 1.00 0.00 H new ATOM 828 N ASP A 52 44.576 35.883 20.167 1.00 0.00 N ATOM 829 CA ASP A 52 44.477 37.050 19.314 1.00 0.00 C ATOM 830 C ASP A 52 43.350 36.999 18.281 1.00 0.00 C ATOM 831 O ASP A 52 42.812 38.039 17.906 1.00 0.00 O ATOM 832 CB ASP A 52 45.820 37.278 18.628 1.00 0.00 C ATOM 833 CG ASP A 52 46.999 37.336 19.601 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.239 38.393 20.221 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.708 36.320 19.770 1.00 0.00 O ATOM 0 H ASP A 52 45.209 35.168 19.809 1.00 0.00 H new ATOM 0 HA ASP A 52 44.220 37.886 19.964 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.992 36.478 17.908 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.778 38.210 18.064 1.00 0.00 H new ATOM 840 N GLY A 53 42.941 35.818 17.824 1.00 0.00 N ATOM 841 CA GLY A 53 41.908 35.631 16.825 1.00 0.00 C ATOM 842 C GLY A 53 40.475 35.601 17.358 1.00 0.00 C ATOM 843 O GLY A 53 39.642 34.915 16.770 1.00 0.00 O ATOM 0 H GLY A 53 43.337 34.938 18.155 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.987 36.433 16.091 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.101 34.696 16.298 1.00 0.00 H new ATOM 847 N ARG A 54 40.206 36.240 18.493 1.00 0.00 N ATOM 848 CA ARG A 54 38.952 36.247 19.218 1.00 0.00 C ATOM 849 C ARG A 54 38.427 37.675 19.386 1.00 0.00 C ATOM 850 O ARG A 54 39.204 38.625 19.330 1.00 0.00 O ATOM 851 CB ARG A 54 39.117 35.587 20.584 1.00 0.00 C ATOM 852 CG ARG A 54 39.059 34.062 20.622 1.00 0.00 C ATOM 853 CD ARG A 54 40.101 33.387 19.734 1.00 0.00 C ATOM 854 NE ARG A 54 40.397 32.022 20.170 1.00 0.00 N ATOM 855 CZ ARG A 54 40.012 30.863 19.620 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.139 30.755 18.609 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.550 29.739 20.114 1.00 0.00 N ATOM 0 H ARG A 54 40.915 36.806 18.959 1.00 0.00 H new ATOM 0 HA ARG A 54 38.226 35.677 18.638 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.074 35.901 21.000 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.340 35.973 21.244 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.199 33.727 21.650 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.066 33.737 20.313 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.742 33.368 18.705 1.00 0.00 H new ATOM 0 HD3 ARG A 54 41.018 33.976 19.741 1.00 0.00 H new ATOM 0 HE ARG A 54 40.975 31.942 21.007 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.719 31.593 18.206 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.894 29.835 18.242 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.224 29.789 20.878 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.286 28.834 19.726 1.00 0.00 H new ATOM 871 N THR A 55 37.128 37.828 19.624 1.00 0.00 N ATOM 872 CA THR A 55 36.479 39.123 19.690 1.00 0.00 C ATOM 873 C THR A 55 36.386 39.712 21.099 1.00 0.00 C ATOM 874 O THR A 55 36.420 38.991 22.093 1.00 0.00 O ATOM 875 CB THR A 55 35.133 39.164 18.975 1.00 0.00 C ATOM 876 OG1 THR A 55 34.153 38.396 19.638 1.00 0.00 O ATOM 877 CG2 THR A 55 35.223 38.667 17.534 1.00 0.00 C ATOM 0 H THR A 55 36.494 37.044 19.778 1.00 0.00 H new ATOM 0 HA THR A 55 37.153 39.777 19.137 1.00 0.00 H new ATOM 0 HB THR A 55 34.844 40.215 18.981 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.557 37.567 19.971 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.238 38.717 17.070 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.919 39.293 16.976 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.576 37.636 17.526 1.00 0.00 H new ATOM 885 N LEU A 56 36.248 41.031 21.197 1.00 0.00 N ATOM 886 CA LEU A 56 36.172 41.747 22.454 1.00 0.00 C ATOM 887 C LEU A 56 35.062 41.235 23.374 1.00 0.00 C ATOM 888 O LEU A 56 35.265 41.108 24.580 1.00 0.00 O ATOM 889 CB LEU A 56 36.003 43.236 22.170 1.00 0.00 C ATOM 890 CG LEU A 56 37.324 43.988 22.033 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.135 43.615 20.794 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.047 45.485 21.954 1.00 0.00 C ATOM 0 H LEU A 56 36.185 41.641 20.382 1.00 0.00 H new ATOM 0 HA LEU A 56 37.104 41.572 22.992 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.428 43.359 21.252 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.420 43.686 22.974 1.00 0.00 H new ATOM 0 HG LEU A 56 37.909 43.710 22.910 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.057 44.195 20.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.375 42.552 20.823 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.552 43.831 19.899 1.00 0.00 H new ATOM 0 HD21 LEU A 56 37.989 46.025 21.856 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.418 45.693 21.089 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.536 45.809 22.861 1.00 0.00 H new ATOM 904 N SER A 57 33.910 40.882 22.812 1.00 0.00 N ATOM 905 CA SER A 57 32.799 40.269 23.510 1.00 0.00 C ATOM 906 C SER A 57 33.128 38.902 24.113 1.00 0.00 C ATOM 907 O SER A 57 32.639 38.610 25.203 1.00 0.00 O ATOM 908 CB SER A 57 31.577 40.154 22.603 1.00 0.00 C ATOM 909 OG SER A 57 31.865 39.481 21.396 1.00 0.00 O ATOM 0 H SER A 57 33.724 41.023 21.819 1.00 0.00 H new ATOM 0 HA SER A 57 32.577 40.936 24.343 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.784 39.624 23.131 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.199 41.151 22.379 1.00 0.00 H new ATOM 0 HG SER A 57 32.279 40.105 20.764 1.00 0.00 H new ATOM 915 N ASP A 58 34.001 38.101 23.509 1.00 0.00 N ATOM 916 CA ASP A 58 34.406 36.815 24.037 1.00 0.00 C ATOM 917 C ASP A 58 35.204 36.928 25.339 1.00 0.00 C ATOM 918 O ASP A 58 35.262 35.970 26.106 1.00 0.00 O ATOM 919 CB ASP A 58 35.204 36.022 23.006 1.00 0.00 C ATOM 920 CG ASP A 58 34.468 35.786 21.685 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.332 35.264 21.700 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.034 36.114 20.619 1.00 0.00 O ATOM 0 H ASP A 58 34.451 38.337 22.624 1.00 0.00 H new ATOM 0 HA ASP A 58 33.484 36.281 24.266 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.135 36.550 22.800 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.473 35.057 23.436 1.00 0.00 H new ATOM 927 N TYR A 59 35.770 38.098 25.619 1.00 0.00 N ATOM 928 CA TYR A 59 36.530 38.423 26.809 1.00 0.00 C ATOM 929 C TYR A 59 35.857 39.445 27.727 1.00 0.00 C ATOM 930 O TYR A 59 36.477 39.897 28.687 1.00 0.00 O ATOM 931 CB TYR A 59 37.924 38.878 26.387 1.00 0.00 C ATOM 932 CG TYR A 59 38.730 37.896 25.570 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.020 36.629 26.091 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.241 38.272 24.321 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.830 35.740 25.374 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.070 37.400 23.606 1.00 0.00 C ATOM 937 CZ TYR A 59 40.370 36.128 24.131 1.00 0.00 C ATOM 938 OH TYR A 59 41.205 35.287 23.456 1.00 0.00 O ATOM 0 H TYR A 59 35.703 38.889 24.978 1.00 0.00 H new ATOM 0 HA TYR A 59 36.592 37.519 27.415 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.824 39.799 25.813 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.491 39.122 27.286 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.617 36.336 27.049 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.994 39.239 23.908 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.041 34.759 25.773 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.479 37.702 22.653 1.00 0.00 H new ATOM 0 HH TYR A 59 41.757 35.804 22.833 1.00 0.00 H new ATOM 948 N ASN A 60 34.606 39.820 27.473 1.00 0.00 N ATOM 949 CA ASN A 60 33.879 40.841 28.201 1.00 0.00 C ATOM 950 C ASN A 60 34.584 42.199 28.247 1.00 0.00 C ATOM 951 O ASN A 60 34.613 42.877 29.271 1.00 0.00 O ATOM 952 CB ASN A 60 33.418 40.302 29.551 1.00 0.00 C ATOM 953 CG ASN A 60 32.302 41.115 30.210 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.824 42.133 29.715 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.799 40.659 31.354 1.00 0.00 N ATOM 0 H ASN A 60 34.055 39.401 26.724 1.00 0.00 H new ATOM 0 HA ASN A 60 32.977 41.074 27.636 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.074 39.276 29.420 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.273 40.268 30.226 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.029 41.153 31.805 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.183 39.815 31.780 1.00 0.00 H new ATOM 962 N ILE A 61 35.164 42.622 27.127 1.00 0.00 N ATOM 963 CA ILE A 61 35.660 43.969 26.934 1.00 0.00 C ATOM 964 C ILE A 61 34.493 44.858 26.500 1.00 0.00 C ATOM 965 O ILE A 61 33.663 44.471 25.680 1.00 0.00 O ATOM 966 CB ILE A 61 36.851 43.984 25.980 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.011 43.165 26.541 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.315 45.412 25.707 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.112 42.846 25.534 1.00 0.00 C ATOM 0 H ILE A 61 35.302 42.020 26.315 1.00 0.00 H new ATOM 0 HA ILE A 61 36.051 44.377 27.866 1.00 0.00 H new ATOM 0 HB ILE A 61 36.524 43.535 25.042 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.449 43.708 27.378 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.618 42.229 26.938 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.165 45.394 25.024 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.500 45.980 25.258 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.612 45.883 26.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.893 42.262 26.021 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.693 42.273 24.707 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.537 43.775 25.154 1.00 0.00 H new ATOM 981 N GLN A 62 34.425 46.051 27.084 1.00 0.00 N ATOM 982 CA GLN A 62 33.337 47.001 26.963 1.00 0.00 C ATOM 983 C GLN A 62 33.862 48.389 26.585 1.00 0.00 C ATOM 984 O GLN A 62 35.069 48.615 26.610 1.00 0.00 O ATOM 985 CB GLN A 62 32.597 47.069 28.295 1.00 0.00 C ATOM 986 CG GLN A 62 32.070 45.736 28.820 1.00 0.00 C ATOM 987 CD GLN A 62 31.403 45.850 30.193 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.168 46.929 30.732 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.071 44.733 30.834 1.00 0.00 N ATOM 0 H GLN A 62 35.173 46.395 27.687 1.00 0.00 H new ATOM 0 HA GLN A 62 32.661 46.672 26.174 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.267 47.495 29.042 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.758 47.756 28.190 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.352 45.330 28.107 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.894 45.026 28.882 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.256 43.826 30.407 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.631 44.784 31.753 1.00 0.00 H new ATOM 998 N LYS A 63 32.978 49.350 26.332 1.00 0.00 N ATOM 999 CA LYS A 63 33.324 50.756 26.278 1.00 0.00 C ATOM 1000 C LYS A 63 34.071 51.194 27.539 1.00 0.00 C ATOM 1001 O LYS A 63 33.853 50.628 28.608 1.00 0.00 O ATOM 1002 CB LYS A 63 32.076 51.606 26.063 1.00 0.00 C ATOM 1003 CG LYS A 63 31.146 51.694 27.269 1.00 0.00 C ATOM 1004 CD LYS A 63 29.939 52.581 26.972 1.00 0.00 C ATOM 1005 CE LYS A 63 29.069 52.846 28.197 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.744 53.682 29.202 1.00 0.00 N ATOM 0 H LYS A 63 31.990 49.166 26.157 1.00 0.00 H new ATOM 0 HA LYS A 63 33.993 50.905 25.430 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.384 52.614 25.785 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.517 51.199 25.220 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.808 50.695 27.544 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.692 52.093 28.124 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.286 53.532 26.569 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.332 52.110 26.199 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.147 53.335 27.884 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.788 51.896 28.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.067 53.944 29.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.533 53.151 29.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.109 54.544 28.748 1.00 0.00 H new ATOM 1020 N GLU A 64 34.933 52.202 27.439 1.00 0.00 N ATOM 1021 CA GLU A 64 35.662 52.763 28.558 1.00 0.00 C ATOM 1022 C GLU A 64 36.579 51.771 29.276 1.00 0.00 C ATOM 1023 O GLU A 64 37.049 52.042 30.378 1.00 0.00 O ATOM 1024 CB GLU A 64 34.688 53.501 29.472 1.00 0.00 C ATOM 1025 CG GLU A 64 35.292 54.584 30.361 1.00 0.00 C ATOM 1026 CD GLU A 64 34.230 55.412 31.087 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.122 54.907 31.370 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.495 56.601 31.364 1.00 0.00 O ATOM 0 H GLU A 64 35.145 52.659 26.552 1.00 0.00 H new ATOM 0 HA GLU A 64 36.375 53.489 28.169 1.00 0.00 H new ATOM 0 HB2 GLU A 64 33.915 53.957 28.853 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.195 52.768 30.111 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.950 54.120 31.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.909 55.245 29.753 1.00 0.00 H new ATOM 1035 N SER A 65 36.874 50.621 28.676 1.00 0.00 N ATOM 1036 CA SER A 65 37.813 49.656 29.214 1.00 0.00 C ATOM 1037 C SER A 65 39.259 50.055 28.910 1.00 0.00 C ATOM 1038 O SER A 65 39.543 50.621 27.857 1.00 0.00 O ATOM 1039 CB SER A 65 37.568 48.240 28.699 1.00 0.00 C ATOM 1040 OG SER A 65 36.229 47.839 28.884 1.00 0.00 O ATOM 0 H SER A 65 36.458 50.334 27.790 1.00 0.00 H new ATOM 0 HA SER A 65 37.651 49.658 30.292 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.819 48.190 27.639 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.230 47.546 29.216 1.00 0.00 H new ATOM 0 HG SER A 65 35.650 48.342 28.274 1.00 0.00 H new ATOM 1046 N THR A 66 40.174 49.712 29.812 1.00 0.00 N ATOM 1047 CA THR A 66 41.604 49.786 29.591 1.00 0.00 C ATOM 1048 C THR A 66 42.170 48.384 29.345 1.00 0.00 C ATOM 1049 O THR A 66 41.794 47.420 30.006 1.00 0.00 O ATOM 1050 CB THR A 66 42.322 50.499 30.732 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.963 51.863 30.740 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.844 50.504 30.601 1.00 0.00 C ATOM 0 H THR A 66 39.929 49.366 30.740 1.00 0.00 H new ATOM 0 HA THR A 66 41.781 50.387 28.699 1.00 0.00 H new ATOM 0 HB THR A 66 42.028 49.954 31.629 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.424 52.318 31.475 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.281 51.029 31.450 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.211 49.478 30.582 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.128 51.008 29.677 1.00 0.00 H new ATOM 1060 N LEU A 67 43.083 48.269 28.385 1.00 0.00 N ATOM 1061 CA LEU A 67 43.769 47.050 28.007 1.00 0.00 C ATOM 1062 C LEU A 67 45.279 47.250 28.147 1.00 0.00 C ATOM 1063 O LEU A 67 45.800 48.282 27.728 1.00 0.00 O ATOM 1064 CB LEU A 67 43.342 46.716 26.580 1.00 0.00 C ATOM 1065 CG LEU A 67 43.818 45.372 26.037 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.243 44.192 26.817 1.00 0.00 C ATOM 1067 CD2 LEU A 67 43.364 45.221 24.588 1.00 0.00 C ATOM 0 H LEU A 67 43.375 49.069 27.824 1.00 0.00 H new ATOM 0 HA LEU A 67 43.509 46.213 28.654 1.00 0.00 H new ATOM 0 HB2 LEU A 67 42.253 46.740 26.533 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.707 47.502 25.919 1.00 0.00 H new ATOM 0 HG LEU A 67 44.904 45.362 26.128 1.00 0.00 H new ATOM 0 HD11 LEU A 67 43.612 43.259 26.391 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.551 44.261 27.860 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.155 44.212 26.758 1.00 0.00 H new ATOM 0 HD21 LEU A 67 43.703 44.261 24.199 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.276 45.268 24.541 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.788 46.026 23.988 1.00 0.00 H new ATOM 1079 N HIS A 68 45.989 46.287 28.727 1.00 0.00 N ATOM 1080 CA HIS A 68 47.404 46.429 29.007 1.00 0.00 C ATOM 1081 C HIS A 68 48.254 45.760 27.925 1.00 0.00 C ATOM 1082 O HIS A 68 47.960 44.641 27.510 1.00 0.00 O ATOM 1083 CB HIS A 68 47.723 45.945 30.419 1.00 0.00 C ATOM 1084 CG HIS A 68 47.066 46.755 31.503 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.811 48.126 31.466 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.624 46.266 32.705 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.205 48.430 32.615 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.071 47.335 33.382 1.00 0.00 N ATOM 0 H HIS A 68 45.596 45.390 29.013 1.00 0.00 H new ATOM 0 HA HIS A 68 47.667 47.486 28.976 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.410 44.905 30.516 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.803 45.968 30.565 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.694 45.246 33.054 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.869 49.419 32.890 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.636 47.300 34.304 1.00 0.00 H new ATOM 1096 N LEU A 69 49.294 46.452 27.468 1.00 0.00 N ATOM 1097 CA LEU A 69 50.165 46.065 26.377 1.00 0.00 C ATOM 1098 C LEU A 69 51.592 45.816 26.869 1.00 0.00 C ATOM 1099 O LEU A 69 52.211 46.700 27.457 1.00 0.00 O ATOM 1100 CB LEU A 69 50.094 47.154 25.312 1.00 0.00 C ATOM 1101 CG LEU A 69 51.107 47.066 24.175 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.969 45.806 23.324 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.940 48.271 23.253 1.00 0.00 C ATOM 0 H LEU A 69 49.561 47.348 27.876 1.00 0.00 H new ATOM 0 HA LEU A 69 49.836 45.121 25.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.094 47.142 24.879 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.217 48.119 25.803 1.00 0.00 H new ATOM 0 HG LEU A 69 52.089 47.041 24.648 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.723 45.814 22.537 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.110 44.926 23.952 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.976 45.777 22.876 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.663 48.210 22.440 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.931 48.277 22.841 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.107 49.188 23.819 1.00 0.00 H new ATOM 1115 N VAL A 70 52.122 44.634 26.565 1.00 0.00 N ATOM 1116 CA VAL A 70 53.451 44.180 26.924 1.00 0.00 C ATOM 1117 C VAL A 70 54.188 43.706 25.669 1.00 0.00 C ATOM 1118 O VAL A 70 53.580 43.101 24.789 1.00 0.00 O ATOM 1119 CB VAL A 70 53.372 43.084 27.983 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.745 42.725 28.543 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.505 43.480 29.176 1.00 0.00 C ATOM 0 H VAL A 70 51.604 43.935 26.033 1.00 0.00 H new ATOM 0 HA VAL A 70 54.015 45.007 27.356 1.00 0.00 H new ATOM 0 HB VAL A 70 52.932 42.233 27.462 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.638 41.941 29.293 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.386 42.370 27.736 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.193 43.607 29.001 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.484 42.663 29.898 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.920 44.371 29.648 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.491 43.689 28.835 1.00 0.00 H new ATOM 1131 N LEU A 71 55.487 43.965 25.563 1.00 0.00 N ATOM 1132 CA LEU A 71 56.338 43.447 24.509 1.00 0.00 C ATOM 1133 C LEU A 71 56.726 41.993 24.784 1.00 0.00 C ATOM 1134 O LEU A 71 56.973 41.620 25.930 1.00 0.00 O ATOM 1135 CB LEU A 71 57.584 44.316 24.370 1.00 0.00 C ATOM 1136 CG LEU A 71 57.505 45.545 23.469 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.375 45.150 22.000 1.00 0.00 C ATOM 1138 CD2 LEU A 71 56.370 46.500 23.827 1.00 0.00 C ATOM 0 H LEU A 71 55.986 44.557 26.227 1.00 0.00 H new ATOM 0 HA LEU A 71 55.782 43.474 23.572 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.870 44.651 25.367 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.392 43.684 24.002 1.00 0.00 H new ATOM 0 HG LEU A 71 58.443 46.074 23.635 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.321 46.048 21.385 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.242 44.559 21.704 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.469 44.560 21.861 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.379 47.348 23.143 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.416 45.978 23.746 1.00 0.00 H new ATOM 0 HD23 LEU A 71 56.503 46.856 24.848 1.00 0.00 H new ATOM 1150 N ARG A 72 56.863 41.174 23.745 1.00 0.00 N ATOM 1151 CA ARG A 72 57.480 39.867 23.851 1.00 0.00 C ATOM 1152 C ARG A 72 58.943 39.956 24.289 1.00 0.00 C ATOM 1153 O ARG A 72 59.657 40.887 23.920 1.00 0.00 O ATOM 1154 CB ARG A 72 57.329 39.072 22.558 1.00 0.00 C ATOM 1155 CG ARG A 72 55.944 38.438 22.461 1.00 0.00 C ATOM 1156 CD ARG A 72 55.884 37.300 21.445 1.00 0.00 C ATOM 1157 NE ARG A 72 54.809 36.363 21.772 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.494 36.520 21.569 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.990 37.503 20.810 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.613 35.686 22.138 1.00 0.00 N ATOM 0 H ARG A 72 56.546 41.405 22.804 1.00 0.00 H new ATOM 0 HA ARG A 72 56.948 39.326 24.633 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.493 39.728 21.703 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.092 38.295 22.514 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.653 38.060 23.441 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.218 39.203 22.186 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.726 37.707 20.446 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.838 36.773 21.427 1.00 0.00 H new ATOM 0 HE ARG A 72 55.095 35.485 22.206 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.615 38.171 20.359 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.981 37.584 20.684 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.942 34.924 22.731 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.614 35.813 21.978 1.00 0.00 H new ATOM 1174 N LEU A 73 59.387 38.956 25.046 1.00 0.00 N ATOM 1175 CA LEU A 73 60.724 38.847 25.594 1.00 0.00 C ATOM 1176 C LEU A 73 61.801 38.756 24.511 1.00 0.00 C ATOM 1177 O LEU A 73 62.925 39.206 24.726 1.00 0.00 O ATOM 1178 CB LEU A 73 60.754 37.644 26.532 1.00 0.00 C ATOM 1179 CG LEU A 73 62.077 37.393 27.250 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.469 38.540 28.176 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.976 36.121 28.089 1.00 0.00 C ATOM 0 H LEU A 73 58.793 38.167 25.302 1.00 0.00 H new ATOM 0 HA LEU A 73 60.958 39.756 26.148 1.00 0.00 H new ATOM 0 HB2 LEU A 73 59.974 37.773 27.282 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.500 36.753 25.958 1.00 0.00 H new ATOM 0 HG LEU A 73 62.839 37.299 26.477 1.00 0.00 H new ATOM 0 HD11 LEU A 73 63.417 38.308 28.661 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.572 39.457 27.596 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.698 38.675 28.934 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.923 35.946 28.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.181 36.234 28.826 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.752 35.274 27.440 1.00 0.00 H new ATOM 1193 N ARG A 74 61.454 38.241 23.334 1.00 0.00 N ATOM 1194 CA ARG A 74 62.198 38.385 22.099 1.00 0.00 C ATOM 1195 C ARG A 74 61.434 39.347 21.186 1.00 0.00 C ATOM 1196 O ARG A 74 60.288 39.075 20.836 1.00 0.00 O ATOM 1197 CB ARG A 74 62.423 37.014 21.468 1.00 0.00 C ATOM 1198 CG ARG A 74 63.312 36.131 22.338 1.00 0.00 C ATOM 1199 CD ARG A 74 63.576 34.764 21.711 1.00 0.00 C ATOM 1200 NE ARG A 74 64.404 33.950 22.601 1.00 0.00 N ATOM 1201 CZ ARG A 74 65.211 32.932 22.269 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.282 32.420 21.033 1.00 0.00 N ATOM 1203 NH2 ARG A 74 65.993 32.357 23.193 1.00 0.00 N ATOM 0 H ARG A 74 60.606 37.687 23.217 1.00 0.00 H new ATOM 0 HA ARG A 74 63.187 38.807 22.279 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.462 36.523 21.313 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.881 37.136 20.486 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.262 36.637 22.511 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.841 35.995 23.312 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.631 34.257 21.517 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.075 34.887 20.750 1.00 0.00 H new ATOM 0 HE ARG A 74 64.362 34.185 23.593 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.703 32.806 20.287 1.00 0.00 H new ATOM 0 HH12 ARG A 74 65.915 31.644 20.838 1.00 0.00 H new ATOM 0 HH21 ARG A 74 65.977 32.693 24.156 1.00 0.00 H new ATOM 0 HH22 ARG A 74 66.604 31.583 22.933 1.00 0.00 H new ATOM 1217 N GLY A 75 62.046 40.471 20.829 1.00 0.00 N ATOM 1218 CA GLY A 75 61.441 41.505 20.014 1.00 0.00 C ATOM 1219 C GLY A 75 62.410 42.617 19.609 1.00 0.00 C ATOM 1220 O GLY A 75 63.542 42.681 20.086 1.00 0.00 O ATOM 0 H GLY A 75 63.002 40.689 21.109 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.028 41.050 19.114 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.607 41.944 20.561 1.00 0.00 H new ATOM 1224 N GLY A 76 61.951 43.491 18.718 1.00 0.00 N ATOM 1225 CA GLY A 76 62.666 44.659 18.249 1.00 0.00 C ATOM 1226 C GLY A 76 62.662 45.831 19.233 1.00 0.00 C ATOM 1227 O GLY A 76 61.719 45.945 20.044 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.608 46.646 19.161 1.00 0.00 O ATOM 0 H GLY A 76 61.031 43.394 18.289 1.00 0.00 H new ATOM 0 HA2 GLY A 76 63.698 44.379 18.038 1.00 0.00 H new ATOM 0 HA3 GLY A 76 62.226 44.987 17.308 1.00 0.00 H new TER 1232 GLY A 76